(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid

C7H15NO3 — CID 131231162

IUPAC(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid
SMILESCC(C)[C@H](CO)[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(2)5(3-9)6(8)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyVPQFZJCQWZUNFW-WDSKDSINSA-N
MW161.20 g/mol
LogP-0.34
Rot. Bonds4

About (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid

(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid (PubChem CID 131231162) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid
PubChem CID131231162
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid
SMILESCC(C)[C@H](CO)[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(2)5(3-9)6(8)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyVPQFZJCQWZUNFW-WDSKDSINSA-N
XLogP-0.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-(1-aminoethyl)-3-methylbutan-1-ol
CID 116945571
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
(2R,3R)-2-amino-3,4-dimethylpentanoic acid
CID 87919550
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid (CID 131231162) is (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid is CC(C)[C@H](CO)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid?
The InChIKey is VPQFZJCQWZUNFW-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(2)5(3-9)6(8)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid?
(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid is sourced from PubChem (CID 131231162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).